4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid

Base Information

• Chemical Name: 4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid
• CAS No.: 532955-19-4
• Molecular Formula: C18H18N2O4S
• Molecular Weight: 358.41
• DSSTox Substance ID: DTXSID10365374
• Wikidata: Q82149997
• ChEMBL ID: CHEMBL1423994
• Mol file: 532955-19-4.mol

Synonyms:4-({[(4-ethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid;4-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]benzoic acid;532955-19-4;MLS000778246;CHEMBL1423994;DTXSID10365374;HMS2759J13;STK052479;AKOS000294010;SMR000414924;4-{3-[2-(4-Ethyl-phenoxy)-acetyl]-thioureido}-benzoic acid

Chemical Property of 4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid

Chemical Property:

• PKA: 4.23±0.10(Predicted)
• PSA: 123.24000
• Density: 1.344±0.06 g/cm3(Predicted)
• LogP: 3.75250
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 358.09872823
• Heavy Atom Count: 25
• Complexity: 470

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O